2-chloranyl-N-cyclohexyl-5-[(4-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[(4-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[(4-phenethyloxybenzoyl)carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[oxo-(4-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[(4-phenethyloxybenzoyl)carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[(4-phenethyloxybenzoyl)thiocarbamoylamino]benzamide Formula: C29H30ClN3O3S MolecularWeight: 536.0848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H30ClN3O3S/c30-26-16-13-23(19-25(26)28(35)31-22-9-5-2-6-10-22)32-29(37)33-27(34)21-11-14-24(15-12-21)36-18-17-20-7-3-1-4-8-20/h1,3-4,7-8,11-16,19,22H,2,5-6,9-10,17-18H2,(H,31,35)(H2,32,33,34,37)